3695-24-7

• 常用中文名：4-羟基-3-甲氧基苦杏仁酸
• 常用英文名：3-Hydroxy-4-methoxymandelic Acid
• CAS号：3695-24-7
• 分子式：C₉H₁₀O₅
• 分子量：198.17300
• 相关类别： 化学试剂 有机试剂 芳香酸
• 发布时间：2018-05-10 08:00:00
• 更新时间：2024-01-04 01:45:02

名称

• 中文名: 4-羟基-3-甲氧基苦杏仁酸
• 英文名: 3-Hydroxy-4-methoxymandelic Acid
• 中文别名: 3-羟基-4-甲氧基扁桃酸
• 英文别名: 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetic acid; EINECS 223-017-7; MFCD00004235; Isovanillylmandelic acid; 3-Hydroxy-4-methoxymandelic acid

物化性质

• 密度: 1.44 g/cm3
• 沸点: 445.6ºC at 760 mmHg
• 熔点: 132-134 °C (dec.)(lit.)
• 分子式: C₉H₁₀O₅
• 分子量: 198.17300
• 闪点: 184.3ºC
• 精确质量: 198.05300
• PSA: 86.99000
• LogP: 0.51880
• 外观性状: 灰白色至米色细结晶粉末
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。避免阳光直射。冷藏温度4ºC。

• 稳定性: 常温常压下稳定，避免与不相容材料接触。 与强氧化剂反应。
• 水溶解性: H2O: ~50 mg/mL
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.4

  2.氢键供体数量:3

  3.氢键受体数量:5

  4.可旋转化学键数量:3

  5.互变异构体数量:3

  6.拓扑分子极性表面积87

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:205

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：白色或米色结晶性粉末

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：132-134

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,20mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mPa,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：溶于水

MSDS

Name: DL-3-Hydroxy-4-methoxymandelic acid 95% Material Safety Data Sheet Synonym: DL-2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetic aci CAS: 3695-24-7 Section 1 - Chemical Product MSDS Name:DL-3-Hydroxy-4-methoxymandelic acid 95% Material Safety Data Sheet Synonym:DL-2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetic aci Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 3695-24-7 DL-3-Hydroxy-4-methoxymandelic acid 95% 223-017-7 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Exposure Limits CAS# 3695-24-7: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystalline powder Color: off-white to beige Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 125 - 132 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C9H10O5 Molecular Weight: 198.17 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 3695-24-7 unlisted. LD50/LC50: Not available. Carcinogenicity: DL-3-Hydroxy-4-methoxymandelic acid - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 3695-24-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 3695-24-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 3695-24-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• WGK德国: 3
• 海关编码: 2918990090

海关

海关编码	2918990090
中文概述	2918990090. 其他含其他附加含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%